Abstract
The nuclear quadrupole interaction parameters e 2 qQ and η are calculated for fluorine nuclei in fluorobenzenes from wave functions obtained using a first-principles Hartree-Fock procedure utilizing linear combinations of atomic orbitals. Weighted averages of these individual parameters are used in an attempt to explain results obtained from time-dependent perturbed angular distribution measurements made earlier on various fluorobenzene samples implanted with 19 F * . Six different basis sets were used. Agreement between the calculated and experimental results for e 2 qQ was within 16% in all cases and within 3% for two of the basis sets used, and the trend in e 2 qQ with increasing fluorinesubstitution was successfully predicted
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